Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
LigandBDBM50502707
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1808268 (CHEMBL4307627)
IC50 23482±n/a nM
Citation Watkins, SMGhose, DBlain, JMGrote, DLLuan, CHClare, MMeganathan, RHorn, JRHagen, TJ Antibacterial activity of 2-amino-4-hydroxypyrimidine-5-carboxylates and binding to Burkholderia pseudomallei 2-C-methyl-d-erythritol-2,4-cyclodiphosphate synthase. Bioorg Med Chem Lett29:0 (2019) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
Name:2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
Synonyms:2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase | 4.6.1.12 | ISPF_SALTY | MECDP-synthase | MECPP-synthase | MECPS | ispF
Type:PROTEIN
Mol. Mass.:16899.38
Organism:Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
Description:ChEMBL_119647
Residue:159
Sequence:
MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKL
FPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDL
GCHMDEVNVKATTTEKLGFTGRGEGIACEAVALLMKAAK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50502707
n/a
NameBDBM50502707
Synonyms:CHEMBL4458954
TypeSmall organic molecule
Emp. Form.C16H12N4O3
Mol. Mass.308.2915
SMILESOC(=O)c1cnc(Nc2ccc(cc2)-c2ccncc2)nc1O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: